N-benzyl-2,3,4,5,6-pentafluorobenzamide

C14H8F5NO — CID 658155

IUPACN-benzyl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(NCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5NO/c15-9-8(10(16)12(18)13(19)11(9)17)14(21)20-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,20,21)
InChIKeyWLOCBVBSMUWLFY-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.31
Rot. Bonds3

About N-benzyl-2,3,4,5,6-pentafluorobenzamide

N-benzyl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 658155) has the molecular formula C14H8F5NO and a molecular weight of 301.21 g/mol. Its IUPAC name is N-benzyl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-benzyl-2,3,4,5,6-pentafluorobenzamide
PubChem CID658155
Molecular FormulaC14H8F5NO
Molecular Weight301.21 g/mol
Exact Mass301.05
IUPAC NameN-benzyl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(NCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5NO/c15-9-8(10(16)12(18)13(19)11(9)17)14(21)20-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,20,21)
InChIKeyWLOCBVBSMUWLFY-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-benzyl-2,3,4,5,6-pentafluorobenzamide (CID 658155) is N-benzyl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-benzyl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-benzyl-2,3,4,5,6-pentafluorobenzamide is O=C(NCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-benzyl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is WLOCBVBSMUWLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO/c15-9-8(10(16)12(18)13(19)11(9)17)14(21)20-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,20,21).
What are the key properties of N-benzyl-2,3,4,5,6-pentafluorobenzamide?
N-benzyl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 301.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 658155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).